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	hartrees
Energy at 0K	-194.522071
Energy at 298.15K	-194.531890
HF Energy	-194.063972
Nuclear repulsion energy	173.030050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3027	32.18
2	A	3166	3012	23.09
3	A	3149	2996	23.91
4	A	3142	2989	3.96
5	A	3077	2927	13.12
6	A	3072	2923	28.78
7	A	3065	2915	18.82
8	A	1730	1645	0.11
9	A	1603	1525	10.78
10	A	1596	1518	2.04
11	A	1590	1513	0.85
12	A	1501	1428	3.37
13	A	1490	1417	5.86
14	A	1476	1404	2.84
15	A	1437	1367	2.88
16	A	1250	1189	4.31
17	A	1160	1103	8.44
18	A	1101	1048	5.33
19	A	997	948	1.06
20	A	969	921	1.79
21	A	754	717	1.65
22	A	533	507	2.07
23	A	390	371	0.30
24	A	309	294	0.16
25	A	3128	2975	36.10
26	A	3127	2974	26.38
27	A	3123	2971	0.33
28	A	1596	1519	19.12
29	A	1591	1513	0.37
30	A	1578	1501	1.14
31	A	1167	1111	0.71
32	A	1125	1070	0.14
33	A	1078	1026	1.93
34	A	849	808	16.30
35	A	439	418	3.44
36	A	260	247	1.89
37	A	184	175	0.97
38	A	138	131	0.43
39	A	97	92	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.525	0.481	0.000
H2	-1.962	-0.521	0.000
H3	-1.888	1.017	0.886
H4	-1.888	1.017	-0.886
C5	0.286	-2.112	0.000
H6	0.665	-2.638	-0.886
H7	0.665	-2.638	0.886
H8	-0.804	-2.187	0.000
C9	0.756	-0.666	0.000
H10	1.840	-0.543	0.000
C11	0.000	0.450	0.000
C12	0.644	1.835	0.000
H13	1.737	1.757	0.000
H14	0.334	2.402	0.887
H15	0.334	2.402	-0.887

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0929	1.0977	1.0977	3.1631	3.9122	3.9122	2.7642	2.5526	3.5176	1.5251	2.5565	3.5023	2.8162	2.8162
H2	1.0929		1.7766	1.7766	2.7541	3.4876	3.4876	2.0291	2.7211	3.8020	2.1886	3.5124	4.3434	3.8207	3.8207
H3	1.0977	1.7766		1.7729	3.9122	4.7973	4.4580	3.4971	3.2568	4.1377	2.1614	2.8045	3.8043	2.6180	3.1621
H4	1.0977	1.7766	1.7729		3.9122	4.4580	4.7973	3.4971	3.2568	4.1377	2.1614	2.8045	3.8043	3.1621	2.6180
C5	3.1631	2.7541	3.9122	3.9122		1.0972	1.0972	1.0933	1.5208	2.2086	2.5781	3.9630	4.1317	4.6007	4.6007
H6	3.9122	3.4876	4.7973	4.4580	1.0972		1.7715	1.7736	2.1637	2.5601	3.2802	4.5592	4.6089	5.3525	5.0505
H7	3.9122	3.4876	4.4580	4.7973	1.0972	1.7715		1.7736	2.1637	2.5601	3.2802	4.5592	4.6089	5.0505	5.3525
H8	2.7642	2.0291	3.4971	3.4971	1.0933	1.7736	1.7736		2.1795	3.1144	2.7575	4.2750	4.6919	4.8110	4.8110
C9	2.5526	2.7211	3.2568	3.2568	1.5208	2.1637	2.1637	2.1795		1.0916	1.3475	2.5027	2.6133	3.2210	3.2210
H10	3.5176	3.8020	4.1377	4.1377	2.2086	2.5601	2.5601	3.1144	1.0916		2.0912	2.6617	2.3018	3.4248	3.4248
C11	1.5251	2.1886	2.1614	2.1614	2.5781	3.2802	3.2802	2.7575	1.3475	2.0912		1.5271	2.1735	2.1699	2.1699
C12	2.5565	3.5124	2.8045	2.8045	3.9630	4.5592	4.5592	4.2750	2.5027	2.6617	1.5271		1.0958	1.0976	1.0976
H13	3.5023	4.3434	3.8043	3.8043	4.1317	4.6089	4.6089	4.6919	2.6133	2.3018	2.1735	1.0958		1.7811	1.7811
H14	2.8162	3.8207	2.6180	3.1621	4.6007	5.3525	5.0505	4.8110	3.2210	3.4248	2.1699	1.0976	1.7811		1.7739
H15	2.8162	3.8207	3.1621	2.6180	4.6007	5.0505	5.3525	4.8110	3.2210	3.4248	2.1699	1.0976	1.7811	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.286	C1	C11	C12	113.774
H2	C1	H3	108.387	H2	C1	H4	108.387
H2	C1	C11	112.383	H3	C1	H4	107.711
H3	C1	C11	109.921	H4	C1	C11	109.921
C5	C9	H10	114.431	C5	C9	C11	127.903
H6	C5	H7	107.654	H6	C5	H8	108.128
H6	C5	C9	110.427	H7	C5	H8	108.128
H7	C5	C9	110.427	H8	C5	C9	111.935
C9	C11	C12	120.940	H10	C9	C11	117.666
C11	C12	H13	110.853	C11	C12	H14	110.457
C11	C12	H15	110.457	H13	C12	H14	108.589
H13	C12	H15	108.589	H14	C12	H15	107.809

All results from a given calculation for C₅H₁₀ (2-Butene, 2-methyl-)

using model chemistry: MP2/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C5H10 (2-Butene, 2-methyl-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₅H₁₀ (2-Butene, 2-methyl-)